SCHEMBL21747019

SCHEMBL21747019

Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)NC2CCc3c(C)n[nH]c32)c(Cl)n1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31033224 1.00 KLKB1 (0.80) KLKB1
SCHEMBL21712995 1.00 KLKB1 (0.80) KLKB1
SCHEMBL21736907 0.93 KLKB1 (0.79) KLKB1
SCHEMBL21736693 0.90 KLKB1 (0.80) KLKB1
SCHEMBL21736691 0.89 KLKB1 (0.81) KLKB1
SCHEMBL21736687 0.89 KLKB1 (0.81) KLKB1
SCHEMBL21736754 0.86 KLKB1 (0.63) KLKB1
SCHEMBL21712935 0.85 KLKB1 (0.70) KLKB1
SCHEMBL21712943 0.85 KLKB1 (0.79) KLKB1
SCHEMBL21712939 0.85 KLKB1 (0.79) KLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed